2WFM
Crystal structure of polyneuridine aldehyde esterase mutant (H244A)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 170.250, 46.810, 184.170 |
Unit cell angles | 90.00, 104.89, 90.00 |
Refinement procedure
Resolution | 19.940 - 2.200 |
R-factor | 0.19827 |
Rwork | 0.198 |
R-free | 0.23579 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wfl |
RMSD bond length | 0.017 |
RMSD bond angle | 1.701 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | Auto-Rickshaw |
Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.120 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.060 | 0.340 |
Number of reflections | 91937 | |
<I/σ(I)> | 11.5 | 2.7 |
Completeness [%] | 96.8 | 88.3 |
Redundancy | 2.7 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.8 | 0.2 M BIS-TRIS, 0.25 M LI2SO4, 25% POLYETHYLENE GLYCOL 3350, PH 6.30 |